2-[N-(carboxymethyl)-4-[3-[2-[2-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]-6-oxoxanthen-9-yl]-2-(pyridin-2-ylmethoxy)anilino]acetic acid | 1325206-41-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-[N-(carboxymethyl)-4-[3-[2-[2-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]-6-oxoxanthen-9-yl]-2-(pyridin-2-ylmethoxy)anilino]acetic acid
• CAS: 1325206-41-4
• 化学式: C₆₂H₇₈N₂O₁₁
• 分子量: 1027.31
• InChiKey: SDCFSPMGOYEJAL-DDNRYUNDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  75
• 可旋转键数：
  25
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  1,6,7,8-中氮茚四醇,八氢-,1,6,8-三苯酸酯7-甲磺酸酯,1S-(1.α.,6.β.,7.α.,8.β.,8a.β.)- 在 lithium hydroxide monohydrate 、 四溴化碳 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-[N-(carboxymethyl)-4-[3-[2-[2-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]-6-oxoxanthen-9-yl]-2-(pyridin-2-ylmethoxy)anilino]acetic acid
  参考文献：
  名称：

  Development of a Cholesterol-Conjugated Fluorescent Sensor for Site-Specific Detection of Zinc Ion at the Plasma Membrane

  摘要：

  A cholesterol-conjugated fluorescence Zn2+ sensor based on the fluorescein platform was designed and synthesized. The cholesterol moiety is essential for localizing the Zn2+ sensor to the cell membrane, allowing the sensor to probe changes in the Zn2+ concentration in a localized area of the cell.

  DOI：

  10.1021/ol201746p

文献信息

• Development of a Cholesterol-Conjugated Fluorescent Sensor for Site-Specific Detection of Zinc Ion at the Plasma Membrane
  作者：Shohei Iyoshi、Masayasu Taki、Yukio Yamamoto

  DOI：10.1021/ol201746p

  日期：2011.9.2

  A cholesterol-conjugated fluorescence Zn2+ sensor based on the fluorescein platform was designed and synthesized. The cholesterol moiety is essential for localizing the Zn2+ sensor to the cell membrane, allowing the sensor to probe changes in the Zn2+ concentration in a localized area of the cell.